ChemSpider 2D Image | [5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-beta-alaninate | C20H25N5O8S

[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate

  • Molecular FormulaC20H25N5O8S
  • Average mass495.506 Da
  • Monoisotopic mass495.142395 Da
  • ChemSpider ID115089776

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate [ACD/IUPAC Name]
[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl-N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(1,2-Diméthyl-1H-imidazol-4-yl)sulfonyl]-β-alaninate de [5-(3,4,5-triméthoxyphényl)-1,3,4-oxadiazol-2-yl]méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-, [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 726.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.2±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.43
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 47.29
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.58
Polar Surface Area: 165 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 344.0±7.0 cm3

Click to predict properties on the Chemicalize site


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